ID: 122998
SMILES:C1(C(C)(O)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 122999
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)c1cc(O)c(C)cc12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.445
InChIKey:AOLSJFGQLDFCOZ-UHFFFAOYSA-N
ID: 123000
SMILES:CCC12OCOC13c1c(OC)cc(CCCCC)cc1OC3C1C(CCC1(O)COCC)C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.665
CB1 binding score: Not available
InChIKey:IVDHHIQSANWPQY-UHFFFAOYSA-N
ID: 123001
SMILES:OC1Cc2c(O)c3c(cc2C)OC(C)(CCC(O)C(=C)C)CC3C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.192
InChIKey:JDRZQLOIDGQCGY-UHFFFAOYSA-N
ID: 123002
SMILES:C1(O)C(C)(C)C2(C(=O)c3c(O)cc(CCCCC)cc3OC2OC)C(C)=CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.957
InChIKey:ZPHPRBZCFVXJDO-UHFFFAOYSA-N
ID: 123003
SMILES:c1c2c(cc(CCCC)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 280.411
CB1 binding score: -16.474
InChIKey:FOHZBPFPXJJIHW-UHFFFAOYSA-N
ID: 123004
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)cc(O)c(CC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.051
InChIKey:TXLIVWXFPYVBTA-UHFFFAOYSA-N
ID: 123005
SMILES:c1(O)cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.766
InChIKey:GNBSKWGIRCMMKP-UHFFFAOYSA-N
ID: 123006
SMILES:CC1(C)CC=CC(=C)C1Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.869
InChIKey:FVOFZVHLJPZRSP-UHFFFAOYSA-N
ID: 123007
SMILES:Oc1cc(CCc2cc(O)ccc2)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 364.485
CB1 binding score: -17.039
InChIKey:RZCRXQCALLAOEK-UHFFFAOYSA-N
ID: 123008
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 123009
SMILES:C(=C(C(=O)OC1(C)CCC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C1)C(=CC(C)CC)C)C(=CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -15.077
InChIKey:JFFKVZKFMJUBNT-UHFFFAOYSA-N
ID: 123010
SMILES:C1(C(C)(O)C)C2c3c(OC)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -16.352
InChIKey:CTXHCBFWDYFCBV-UHFFFAOYSA-N
ID: 123011
SMILES:C(C)CCc1cc(O)c2c(c1C=O)OC(C)(C)C1C2C(O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.791
InChIKey:YAMNQZWLWWPGDE-UHFFFAOYSA-N
ID: 123012
SMILES:c1c(O)c(C2C=C(C)CCC2C(C)(C)O)c(O)c(C(=O)CC(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -13.522
InChIKey:QSDBDJSIZVJTKP-UHFFFAOYSA-N
ID: 123013
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 123014
SMILES:c1(C2C=C(C)CCC2C(C)=C)c(OC)c(OC)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.754
InChIKey:BPKVPHCRXMFJSH-UHFFFAOYSA-N
ID: 123015
SMILES:C1C(O)CC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -17.64
InChIKey:HHBVPHAIKVTQJT-UHFFFAOYSA-N
ID: 123016
SMILES:C(OC1c2c(O)cc(CCCCC)cc2OC(C)(C)C1CCC(O)(C)C=C)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -15.124
InChIKey:UBJLZTQSKSIBMA-UHFFFAOYSA-N
ID: 123017
SMILES:C1(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 123018
SMILES:C1C(C(OC)=O)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N